butan-2-yl 2-aminocyclopentane-1-carboxylate

C10H19NO2 — CID 64816088

IUPACbutan-2-yl 2-aminocyclopentane-1-carboxylate
SMILESCCC(C)OC(=O)C1CCCC1N
InChIInChI=1S/C10H19NO2/c1-3-7(2)13-10(12)8-5-4-6-9(8)11/h7-9H,3-6,11H2,1-2H3
InChIKeyXCHJHZNNPVJEIU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds3

About butan-2-yl 2-aminocyclopentane-1-carboxylate

butan-2-yl 2-aminocyclopentane-1-carboxylate (PubChem CID 64816088) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butan-2-yl 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 2-aminocyclopentane-1-carboxylate
PubChem CID64816088
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutan-2-yl 2-aminocyclopentane-1-carboxylate
SMILESCCC(C)OC(=O)C1CCCC1N
InChIInChI=1S/C10H19NO2/c1-3-7(2)13-10(12)8-5-4-6-9(8)11/h7-9H,3-6,11H2,1-2H3
InChIKeyXCHJHZNNPVJEIU-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-aminocyclopentane-1-carboxylate?
The IUPAC name of butan-2-yl 2-aminocyclopentane-1-carboxylate (CID 64816088) is butan-2-yl 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for butan-2-yl 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for butan-2-yl 2-aminocyclopentane-1-carboxylate is CCC(C)OC(=O)C1CCCC1N.
What is the InChIKey of butan-2-yl 2-aminocyclopentane-1-carboxylate?
The InChIKey is XCHJHZNNPVJEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7(2)13-10(12)8-5-4-6-9(8)11/h7-9H,3-6,11H2,1-2H3.
What are the key properties of butan-2-yl 2-aminocyclopentane-1-carboxylate?
butan-2-yl 2-aminocyclopentane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64816088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).